2-methyl-4-propan-2-yliminopent-2-en-3-amine

C₉H₁₈N₂ — CID 162681966

About 2-methyl-4-propan-2-yliminopent-2-en-3-amine

2-methyl-4-propan-2-yliminopent-2-en-3-amine (PubChem CID 162681966) has the molecular formula C₉H₁₈N₂ and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yliminopent-2-en-3-amine.

Molecular Properties

• Compound Name: 2-methyl-4-propan-2-yliminopent-2-en-3-amine
• PubChem CID: 162681966
• Molecular Formula: C₉H₁₈N₂
• Molecular Weight: 154.26 g/mol
• Exact Mass: 154.15
• IUPAC Name: 2-methyl-4-propan-2-yliminopent-2-en-3-amine
• SMILES: CC(C)=C(N)/C(C)=N/C(C)C
• InChI: InChI=1S/C9H18N2/c1-6(2)9(10)8(5)11-7(3)4/h7H,10H2,1-5H3/b11-8+
• InChIKey: CGTQFLRDTKGGJJ-DHZHZOJOSA-N
• XLogP: 2.11
• TPSA: 38.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	154.26
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yliminopent-2-en-3-amine?

The IUPAC name of 2-methyl-4-propan-2-yliminopent-2-en-3-amine (CID 162681966) is 2-methyl-4-propan-2-yliminopent-2-en-3-amine.

What is the SMILES notation for 2-methyl-4-propan-2-yliminopent-2-en-3-amine?

The canonical SMILES for 2-methyl-4-propan-2-yliminopent-2-en-3-amine is CC(C)=C(N)/C(C)=N/C(C)C.

What is the InChIKey of 2-methyl-4-propan-2-yliminopent-2-en-3-amine?

The InChIKey is CGTQFLRDTKGGJJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H18N2/c1-6(2)9(10)8(5)11-7(3)4/h7H,10H2,1-5H3/b11-8+.

What are the key properties of 2-methyl-4-propan-2-yliminopent-2-en-3-amine?

2-methyl-4-propan-2-yliminopent-2-en-3-amine has a molecular weight of 154.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-4-propan-2-yliminopent-2-en-3-amine is sourced from PubChem (CID 162681966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 162681966 — identifiers, structure, computed properties (public domain)

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